N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide

C16H21N5O2 — CID 135752899

IUPACN-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C2CCCCC2)n1
InChIInChI=1S/C16H21N5O2/c1-10-9-14(22)19-16(17-10)21-13(8-11(2)20-21)18-15(23)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H,18,23)(H,17,19,22)
InChIKeyAWKISOCMNQPCBT-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.09
Rot. Bonds3

About N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide

N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide (PubChem CID 135752899) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide
PubChem CID135752899
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C2CCCCC2)n1
InChIInChI=1S/C16H21N5O2/c1-10-9-14(22)19-16(17-10)21-13(8-11(2)20-21)18-15(23)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H,18,23)(H,17,19,22)
InChIKeyAWKISOCMNQPCBT-UHFFFAOYSA-N
XLogP2.09
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide (CID 135752899) is N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide is Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C2CCCCC2)n1.
What is the InChIKey of N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide?
The InChIKey is AWKISOCMNQPCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10-9-14(22)19-16(17-10)21-13(8-11(2)20-21)18-15(23)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H,18,23)(H,17,19,22).
What are the key properties of N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide?
N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide has a molecular weight of 315.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 135752899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).